基本描述

别名	苯基芥子油
英文别名	Phenyl isothiocyanate, Sigma Grade, 8.36 M, suitable for solid phase protein sequencing analysis, >=99% (GC), liquid \| Phenyl thioisocyanate \| AI3-09310 \| BCP22726 \| STL281854 \| A800790 \| Phenyl sothocyanate \| Phenylsenfoel [German] \| Phenyl isothiocyanat
规格或纯度	用于HPLC标记, ≥99%
英文名称	Phenyl isothiocyanate
储存温度	2-8°C储存
运输条件	冰袋运输
产品介绍	有刺激性气味。对湿敏感。能随水蒸气挥发而不分解。溶于乙醇、乙醚和其他有机溶剂，不溶于水。有毒，半数致死量(小鼠，经口)87mg/kg。有腐蚀性。有机分析检定伯胺和腈类。肽顺序研究。用于制药工业和有机合成。色谱衍生化试剂

关联靶点（人）

AKR1B1 Tclin Aldose reductase (1404 活性数据)

点击查看靶蛋白信息： AKR1B1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

MIF Tchem Macrophage migration inhibitory factor (979 活性数据)

点击查看靶蛋白信息： MIF

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

CTSB Tchem Cathepsin B (3822 活性数据)

点击查看靶蛋白信息： CTSB

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 活性数据)

点击查看靶蛋白信息： TP53

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

HepG2 (196354 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

关联靶点（其它种属）

Ptpn1 Protein-tyrosine phosphatase 1B (270 活性数据)

点击查看靶蛋白信息： Ptpn1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Sclerotinia sclerotiorum (877 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Meloidogyne javanica (98 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

EC号	203-138-1
分子类型	小分子
IUPAC Name	isothiocyanatobenzene
INCHI	InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChi Key	QKFJKGMPGYROCL-UHFFFAOYSA-N
Canonical SMILES	C1=CC=C(C=C1)N=C=S
Isomeric SMILES	C1=CC=C(C=C1)N=C=S
WGK Germany	3
RTECS	NX9275000
PubChem CID	7673
UN Number	2927
Packing Group	II
分子量	135.19
Beilstein号	471392

化学和物理性质

溶解性	不溶于水，溶于醇、醚。
密度	1.132
敏感性	对湿度敏感
折光率	1.64918
闪点(℉)	190.4 °F
闪点(℃)	87℃
沸点	221°C
熔点	-21°C
分子量	135.190 g/mol
XLogP3	3.300
氢键供体数Hydrogen Bond Donor Count	0
氢键受体数Hydrogen Bond Acceptor Count	2
可旋转键计数Rotatable Bond Count	1
精确质量Exact Mass	135.014 Da
单同位素质量Monoisotopic Mass	135.014 Da
拓扑极表面积Topological Polar Surface Area	44.500 Å²
重原子数Heavy Atom Count	9
形式电荷Formal Charge	0
复杂度Complexity	121.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1

安全和危险性（GHS）

一般危化品	一般危化品
象形图	GHS06, GHS08, GHS09, GHS05
信号词	Danger
危险声明	H301: 吞咽会中毒 H314: 造成严重的皮肤灼伤和眼睛损伤 H317: 可能引起皮肤过敏反应 H334: 吸入可能引起过敏或哮喘病症状或呼吸困难 H410: 对水生生物有剧毒并具有长期持续影响 H227: 可燃液体
预防措施声明	P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾 P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。 P273: 避免释放到环境中。 P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P301+P310: 如误吞咽：立即呼叫急救中心/医生。 P370+P378: 火灾时：使用干砂、干粉或抗醇泡沫灭火。 P210: 远离热源，热表面，火花，明火和其他点火源。 - 禁止抽烟。 P310: 立即致电解毒中心或医生。 P342+P311: 如有呼吸系统病症：呼叫急救中心/医生。 P405: 密闭存放 P501: 将内容物/容器处理到。。。 P264: 处理后要彻底洗手。 P403+P235: 存放在通风良好的地方。保持低温。 P303+P361+P353: 如皮肤（或头发）沾染：立即脱掉所有沾染的衣服。用水清洗皮肤/淋浴。 P270: 使用本产品时，请勿进食、饮水或吸烟。 P301+P330+P331: 如误吞咽：漱口。不要诱导呕吐。 P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。 P272: 被污染的工作服不允许离开工作场所 P333+P313: 如发生皮肤刺激或皮疹：求医/就诊。 P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。 P391: 收集溢出物
WGK Germany	3
RTECS	NX9275000
Merck Index	7297
个人防护装备	Faceshields,full-face respirator (US),Gloves,Goggles,multi-purpose combination respirator cartridge (US),type ABEK (EN14387) respirator filter

SDS英文版

质量标准

Purity(GC)	99-100（%）
Density (20°C)	1.134-1.137
Refractive index n20/D	1.648-1.653
Appearance（P110636)	Colorless Liquid
HPLC derivatization test	Pass
Infrared spectrum	Conforms to Structure

质量标准

质检证书（CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):

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找到12个结果

批号(Lot Number)	证书类型	日期	货号
A2521406	分析证书	25-01-07	P110636
A2521407	分析证书	25-01-07	P110636
K2321466	分析证书	23-10-23	P110636
K2321470	分析证书	23-10-23	P110636
J2323713	分析证书	23-10-16	P110636
J2323716	分析证书	23-10-16	P110636
E2323482	分析证书	23-01-30	P110636
E2323499	分析证书	23-01-30	P110636
A2304461	分析证书	22-12-05	P110636
A2304463	分析证书	22-12-05	P110636
C2218562	分析证书	22-03-22	P110636
C2218582	分析证书	22-03-22	P110636

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此产品的引用文献

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1. Lu Xu,Bin Du,Baojun Xu. (2014-12-23) A systematic, comparative study on the beneficial health components and antioxidant activities of commercially fermented soy products marketed in China.. Food chemistry, 174 (202-213). [PMID:25529671]
2. Jingchen Gao, Xiyuran Wang, Xiangyi Kong, Xujin Yao, Jinyang Ren, Shujun Chen, Na Shen, Zhuo Li, Yitian Wang, Ye Wei, Oleg Glebov, Fengyuan Che, Qi Wan. (2023) Proline-Loaded Chitosan Nanoparticles Penetrate the Blood–Brain Barrier to Confer Neuroprotection in Mice Cerebral Ischemia Injury. ACS Applied Polymer Materials, 5 (12): (10234–10244). [10.1021/acsapm.3c02034]
3. Zhang Hao-Tian, Niu Ming-Xin, Zhang Qi, Hu Chen-Yang, Pang Xuan. (2023) Facile Synthesis of Polyisothioureas via Alternating Copolymerization of Aziridines and Isothiocayanates. CHINESE JOURNAL OF POLYMER SCIENCE, (1-7). [10.1007/s10118-023-3048-6]
4. Shengmei Gao, Luyu Shan, Yaling Shi, Yuting Zhao, Qixuan Mu, Ying Cui, Xin Chai, Yuefei Wang. (2023) Exploration of the variations of amino acids in Massa Medicata Fermentata and their effects on gastrointestinal diseases. LWT-FOOD SCIENCE AND TECHNOLOGY, 173 (114309). [10.1016/j.lwt.2022.114309]
5. Peng-Zhou HANG, Pei-Feng LI, Jie LIU, Feng-Feng LI, Ting-Ting CHEN, Yang PAN, Man-Ru ZHANG, Hua-Qing YU, Hong-Yu JI, Zhi-Min DU, Jing ZHAO. (2022) Small-molecule 7,8-dihydroxyflavone counteracts compensated and decompensated cardiac hypertrophy via AMPK activation. Journal of Geriatric Cardiology, 19 (11): ( 853–866). [PMID:36561053] [10.11909/j.issn.1671-5411.2022.11.002]
6. Hui-Zhong Sun, Xin-Yue Chen, Yu-Miao Zhang, Bin Qiao, Qiu-Man Xu, Jing-Sheng Cheng, Ying-Jin Yuan. (2022) Construction of multi-strain microbial consortia producing amylase, serine and proline for enhanced bioconversion of food waste into lipopeptides. BIOCHEMICAL ENGINEERING JOURNAL, 188 (108682). [10.1016/j.bej.2022.108682]
7. Xin-Yue Chen, Hui-Zhong Sun, Bin Qiao, Chang-Hao Miao, Zheng-Jie Hou, Shu-Jing Xu, Qiu-Man Xu, Jing-Sheng Cheng. (2022) Improved the lipopeptide production of Bacillus amyloliquefaciens HM618 under co-culture with the recombinant Corynebacterium glutamicum producing high-level proline. BIORESOURCE TECHNOLOGY, 349 (126863). [PMID:35183721] [10.1016/j.biortech.2022.126863]
8. Zili Song, Ruilin Zhao, Hongjiao Zhang, Penglin Wei, Landa Qi, Guocan Chen, Wen-Bing Yin, Wei Li. (2021) Rapid and Accurate Screening of Lysine-Producing Edible Mushrooms via the Homocitrate Synthase Gene as a Universal Molecular Marker. ACS Omega, 6 (41): (26910–26918). [PMID:34693112] [10.1021/acsomega.1c03175]
9. Derui Zhang, Xiaonan Wei, Ze Liu, Xiangyun Wu, Changjian Bao, Yuzhe Sun, Nana Su, Jin Cui. (2021) Transcriptome Analysis Reveals the Molecular Mechanism of GABA Accumulation during Quinoa (Chenopodium quinoa Willd.) Germination. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 69 (41): (12171–12186). [PMID:34610747] [10.1021/acs.jafc.1c02933]
10. Saili Zhang, Xiangjun Fang, Weijie Wu, Chuan Tong, Hangjun Chen, Hailong Yang, Haiyan Gao. (2022) Effects of negative air ions treatment on the quality of fresh shiitake mushroom (Lentinus edodes) during storage. FOOD CHEMISTRY, 371 (131200). [PMID:34624741] [10.1016/j.foodchem.2021.131200]
11. Jie Yan, Wenxiu Guo, Lanyu Zhou, Dale Guo, Jin Pei, Yun Deng, Haoyuan Zheng, Ding Liu, Xiaofang Xie, Cheng Peng. (2021) Three Previously Undescribed Chlorophenyl Glycosides from the Bulbs of Lilium regale. CHEMISTRY & BIODIVERSITY, 18 (10): (e2100403). [PMID:34370372] [10.1002/cbdv.202100403]
12. Xiaofeng He, Liling Xie, Xiaoshan Zhang, Fan Lin, Xiaobo Wen, Bo Teng. (2021) The Structural Characteristics of Collagen in Swim Bladders with 25-Year Sequence Aging: The Impact of Age. Applied Sciences-Basel, 11 (10): (4578). [10.3390/app11104578]
13. Yiming Zhang, Jinsheng Yu, Shuyu Lai, Jian Song, Xiaomei Wu, Dingnan Wang, Linjiang Pang, Tingting Chai. (2021) Rapid determination of histamine level in seafood using read-out strips based on high-performance thin layer chromatography modified with self-visualization nanomaterials. FOOD CONTROL, 122 (107816). [10.1016/j.foodcont.2020.107816]
14. Jin-feng Chen, Lu Tan, Feng Ju, Qi-xuan Kuang, Tian-long Yang, Fang Deng, Yu-cheng Gu, Li-shi Jiang, Yun Deng, Da-le Guo. (2022) Phenolic glycosides from Sanguisorba officinalis and their anti-inflammatory effects. NATURAL PRODUCT RESEARCH, 36 (8): (2097-2104). [PMID:33205667] [10.1080/14786419.2020.1849202]
15. Zhang Pengyu, Liu Wei, Li Wei, Wang Qingshuang, Zhang Guilin, Zhao Lihui, Li Jingmei, Ji Wei, Wang Chen, Wang Jiaqi. (2020) A Rapid and Sensitive Method for Free Amino Acids in Nasal Feeding Nutrition by Liquid Chromatography with Liquid Extraction-Derivatization. CHROMATOGRAPHIA, 83 (2): (293-297). [10.1007/s10337-019-03830-w]
16. Da-Le Guo, Jin-Feng Chen, Lu Tan, Meng-Ying Jin, Feng Ju, Zhi-Xing Cao, Fang Deng, Li-Na Wang, Yu-Cheng Gu, Yun Deng. (2019) Terpene Glycosides from Sanguisorba officinalis and Their Anti-Inflammatory Effects. MOLECULES, 24 (16): (2906). [PMID:31405117] [10.3390/molecules24162906]
17. Guocheng Huang, Weixi Cai, Baojun Xu. (2017) Improvement in beta-carotene, vitamin B2, GABA, free amino acids and isoflavones in yellow and black soybeans upon germination. LWT-FOOD SCIENCE AND TECHNOLOGY, 75 (488). [10.1016/j.lwt.2016.09.029]
18. Miaomiao Hong, Xiangyu Lu, Yuhua Chen, Dongmei Xu. (2016) A novel rhodamine-based colorimetric and fluorescent sensor for Hg2+ in water matrix and living cell. SENSORS AND ACTUATORS B-CHEMICAL, 232 (28). [10.1016/j.snb.2016.03.125]
19. Miaomiao Hong, Shengzhou Lu, Feng Lv, Dongmei Xu. (2016) A novel facilely prepared rhodamine-based Hg2+ fluorescent probe with three thiourea receptors. DYES AND PIGMENTS, 127 (94). [10.1016/j.dyepig.2015.12.023]
20. Guihua Zheng, Wenwen Jin, Pei Fan, Xiaonan Feng, Yun Bai, Tao Tao, Longjiang Yu. (2015) A novel method for detecting amino acids derivatized with phenyl isothiocyanate by high-performance liquid chromatography–electrospray ionization mass spectrometry. INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 392 (1). [10.1016/j.ijms.2015.08.004]
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溶液计算器

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